2-[5-(2-fluorophenyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid

C15H10FN3O3 — CID 76901430

IUPAC2-[5-(2-fluorophenyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2[nH]c(-c3ccccc3F)cc2=O)c1
InChIInChI=1S/C15H10FN3O3/c16-11-4-2-1-3-10(11)12-8-14(20)19(18-12)13-7-9(15(21)22)5-6-17-13/h1-8,18H,(H,21,22)
InChIKeyIEZSWDDCSGRQGM-UHFFFAOYSA-N
MW299.26 g/mol
LogP2.06
Rot. Bonds3

About 2-[5-(2-fluorophenyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid

2-[5-(2-fluorophenyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid (PubChem CID 76901430) has the molecular formula C15H10FN3O3 and a molecular weight of 299.26 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(2-fluorophenyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid
PubChem CID76901430
Molecular FormulaC15H10FN3O3
Molecular Weight299.26 g/mol
Exact Mass299.07
IUPAC Name2-[5-(2-fluorophenyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2[nH]c(-c3ccccc3F)cc2=O)c1
InChIInChI=1S/C15H10FN3O3/c16-11-4-2-1-3-10(11)12-8-14(20)19(18-12)13-7-9(15(21)22)5-6-17-13/h1-8,18H,(H,21,22)
InChIKeyIEZSWDDCSGRQGM-UHFFFAOYSA-N
XLogP2.06
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluorophenyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-(2-fluorophenyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid (CID 76901430) is 2-[5-(2-fluorophenyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-(2-fluorophenyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-(2-fluorophenyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-n2[nH]c(-c3ccccc3F)cc2=O)c1.
What is the InChIKey of 2-[5-(2-fluorophenyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid?
The InChIKey is IEZSWDDCSGRQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O3/c16-11-4-2-1-3-10(11)12-8-14(20)19(18-12)13-7-9(15(21)22)5-6-17-13/h1-8,18H,(H,21,22).
What are the key properties of 2-[5-(2-fluorophenyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid?
2-[5-(2-fluorophenyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid has a molecular weight of 299.26 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluorophenyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 76901430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).